6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide

C13H10ClNO3 — CID 6462691

IUPAC6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide
SMILESO=C(NC1CC1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C13H10ClNO3/c14-8-1-4-11-7(5-8)6-10(13(17)18-11)12(16)15-9-2-3-9/h1,4-6,9H,2-3H2,(H,15,16)
InChIKeyGCIVTMNEKYWFHW-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.34
Rot. Bonds2

About 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide

6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide (PubChem CID 6462691) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide
PubChem CID6462691
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide
SMILESO=C(NC1CC1)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C13H10ClNO3/c14-8-1-4-11-7(5-8)6-10(13(17)18-11)12(16)15-9-2-3-9/h1,4-6,9H,2-3H2,(H,15,16)
InChIKeyGCIVTMNEKYWFHW-UHFFFAOYSA-N
XLogP2.34
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide (CID 6462691) is 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide is O=C(NC1CC1)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide?
The InChIKey is GCIVTMNEKYWFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-8-1-4-11-7(5-8)6-10(13(17)18-11)12(16)15-9-2-3-9/h1,4-6,9H,2-3H2,(H,15,16).
What are the key properties of 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide?
6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide has a molecular weight of 263.68 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopropyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 6462691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).